N-(2-oxoazepan-3-yl)-2,3,4,9-tetrahydro-1H-carbazole-7-carboxamide

• ChemBase ID: 387877
• Molecular Formular: C19H23N3O2
• Molecular Mass: 325.40482
• Monoisotopic Mass: 325.17902699
• SMILES: [nH]1c2c(c3c1cc(C(=O)NC1C(=O)NCCCC1)cc3)CCCC2
• Canonical SMILES: O=C1NCCCCC1NC(=O)c1ccc2c(c1)[nH]c1c2CCCC1
• InChI: InChI=1S/C19H23N3O2/c23-18(22-16-7-3-4-10-20-19(16)24)12-8-9-14-13-5-1-2-6-15(13)21-17(14)11-12/h8-9,11,16,21H,1-7,10H2,(H,20,24)(H,22,23)
• InChIKey: FFAPSZCFPZBGLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-oxoazepan-3-yl)-2,3,4,9-tetrahydro-1H-carbazole-7-carboxamide
• IUPAC Traditional name: N-(2-oxoazepan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
• Synonyms: N-(2-oxoazepan-3-yl)-2,3,4,9-tetrahydro-1H-carbazole-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.981486
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): 2.3197112
• LogD (pH = 7.4): 2.3197112
• Log P: 2.3197112
• Molar Refractivity: 93.3241 cm^3
• Polarizability: 36.372097 Å^3
• Polar Surface Area: 73.99 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 3
• Log P: 1.5
• LOG S: -2.85
• Polar Surface Area: 73.99 Å^2
• Rotatable Bonds: 2